N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide

C17H20N2O3 — CID 23325745

IUPACN-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(O)COc2ccccc2)c1
InChIInChI=1S/C17H20N2O3/c1-13(20)19-15-7-5-6-14(10-15)18-11-16(21)12-22-17-8-3-2-4-9-17/h2-10,16,18,21H,11-12H2,1H3,(H,19,20)
InChIKeyYLTMKCSJMJHTHY-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.50
Rot. Bonds7

About N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide

N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide (PubChem CID 23325745) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide
PubChem CID23325745
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(O)COc2ccccc2)c1
InChIInChI=1S/C17H20N2O3/c1-13(20)19-15-7-5-6-14(10-15)18-11-16(21)12-22-17-8-3-2-4-9-17/h2-10,16,18,21H,11-12H2,1H3,(H,19,20)
InChIKeyYLTMKCSJMJHTHY-UHFFFAOYSA-N
XLogP2.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
N-[3-[(3-cyclopentyl-2-hydroxypropyl)amino]phenyl]acetamide
CID 103157101
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805
1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60901856
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
N-[3-(3-cyclopentyl-2-hydroxypropoxy)phenyl]acetamide
CID 103160504
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
N-[4-[(2S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propoxy]phenyl]acetamide
CID 40616157
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60719999
1-(4-fluorophenoxy)-3-(3-methylanilino)propan-2-ol
CID 60719889

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide (CID 23325745) is N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide is CC(=O)Nc1cccc(NCC(O)COc2ccccc2)c1.
What is the InChIKey of N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide?
The InChIKey is YLTMKCSJMJHTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13(20)19-15-7-5-6-14(10-15)18-11-16(21)12-22-17-8-3-2-4-9-17/h2-10,16,18,21H,11-12H2,1H3,(H,19,20).
What are the key properties of N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide?
N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-3-phenoxypropyl)amino]phenyl]acetamide is sourced from PubChem (CID 23325745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).